N-(2-ethoxybutyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 832948
• Molecular Formular: C15H22N4O
• Molecular Mass: 274.36138
• Monoisotopic Mass: 274.17936134
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC(OCC)CC
• Canonical SMILES: CCOC(CNc1ncnc2c1c(C)cc(n2)C)CC
• InChI: InChI=1S/C15H22N4O/c1-5-12(20-6-2)8-16-14-13-10(3)7-11(4)19-15(13)18-9-17-14/h7,9,12H,5-6,8H2,1-4H3,(H,16,17,18,19)
• InChIKey: WNIDHHRBRZLUPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxybutyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(2-ethoxybutyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-(2-ethoxybutyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Log P: 2.4933517
• Molar Refractivity: 83.0913 cm^3
• Polarizability: 30.889471 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 17.40655
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4826612
• LogD (pH = 7.4): 2.4932156

供应商提供(Chembridge)

• Log P: 2.09
• LOG S: -2.99
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1